Chemical ID: 4924260

CC1(C2CCC3(C1C(C2)O)OCCO3)C
Chemical ID:
4924260
Name [?]:
None
SMILES [?]:
CC1(C2CCC3(C1C(C2)O)OCCO3)C
InChi [?]:
InChI=1/C12H20O3/c1-11(2)8-3-4-12(14-5-6-15-12)10(11)9(13)7-8/h8-10,13H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,4,5,12,13,9,3,8,7,2,6,10,11,14/E:(1,2)(5,6)(14,15)/rA:15cCCCCCCCCCOOCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s3s8;s8;s6;s11;s12;s6s13;s2;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:3
ZAP Information [?]
Total:4.80653
Area:344.229
Solvation:-3.79918
Coulombic:-32.7408
Bond Count [?]
All:17
Single:17
Double:0
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:212.285
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.71
LogP (Chemaxon):1.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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